(1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol

C32H40O3Si — CID 46928266

IUPAC(1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol
SMILESC=C1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H40O3Si/c1-24-28(30(22-29(24)33)35-36(5,6)31(2,3)4)23-34-32(25-16-10-7-11-17-25,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-21,28-30,33H,1,22-23H2,2-6H3/t28-,29+,30-/m0/s1
InChIKeyHGFORZGBCGJSDS-JBOQNHBVSA-N
MW500.76 g/mol
LogP7.32
Rot. Bonds8

About (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol

(1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol (PubChem CID 46928266) has the molecular formula C32H40O3Si and a molecular weight of 500.76 g/mol. Its IUPAC name is (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol
PubChem CID46928266
Molecular FormulaC32H40O3Si
Molecular Weight500.76 g/mol
Exact Mass500.27
IUPAC Name(1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol
SMILESC=C1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H40O3Si/c1-24-28(30(22-29(24)33)35-36(5,6)31(2,3)4)23-34-32(25-16-10-7-11-17-25,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-21,28-30,33H,1,22-23H2,2-6H3/t28-,29+,30-/m0/s1
InChIKeyHGFORZGBCGJSDS-JBOQNHBVSA-N
XLogP7.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.76
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol
CID 101470588
tert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane
CID 25150053
2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol
CID 141267645
(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol
CID 101051182
(1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol
CID 11285204
(3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,4-diol
CID 69329004
[(1R,2R,3R,4R)-2,3-dihydroxy-4-(trityloxymethyl)cyclopentyl] acetate
CID 10025805
3-(trityloxymethyl)cyclobutan-1-ol
CID 14796870
[(1S,2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-3-methylidenecyclopentyl] benzoate
CID 56651565
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
[(1R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-formyloxy-2-methylidenecyclopentyl]methyl 4-phenylbenzoate
CID 56655333
(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
CID 171126516

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol?
The IUPAC name of (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol (CID 46928266) is (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol is C=C1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol?
The InChIKey is HGFORZGBCGJSDS-JBOQNHBVSA-N. The full InChI is InChI=1S/C32H40O3Si/c1-24-28(30(22-29(24)33)35-36(5,6)31(2,3)4)23-34-32(25-16-10-7-11-17-25,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-21,28-30,33H,1,22-23H2,2-6H3/t28-,29+,30-/m0/s1.
What are the key properties of (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol?
(1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol has a molecular weight of 500.76 g/mol, XLogP of 7.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 46928266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).